2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline

C26H36NOP — CID 71725627

IUPAC2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline
SMILESCOc1cccc(N(C)c2ccccc2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H36NOP/c1-27(21-13-6-3-7-14-21)24-19-12-20-25(28-2)26(24)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3,6-7,12-14,19-20,22-23H,4-5,8-11,15-18H2,1-2H3
InChIKeyIGQZJEABZKJTBN-UHFFFAOYSA-N
MW409.55 g/mol
LogP7.24
Rot. Bonds6

About 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline

2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline (PubChem CID 71725627) has the molecular formula C26H36NOP and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline
PubChem CID71725627
Molecular FormulaC26H36NOP
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Name2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline
SMILESCOc1cccc(N(C)c2ccccc2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H36NOP/c1-27(21-13-6-3-7-14-21)24-19-12-20-25(28-2)26(24)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3,6-7,12-14,19-20,22-23H,4-5,8-11,15-18H2,1-2H3
InChIKeyIGQZJEABZKJTBN-UHFFFAOYSA-N
XLogP7.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
CID 118474964
[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane
CID 175808760
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
CID 118474937
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145
N-cyclohexyl-2-methoxy-N-propylaniline
CID 138322865
[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
CID 134464404
dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane
CID 70847876
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
CID 102632563

Frequently Asked Questions

What is the IUPAC name of 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline?
The IUPAC name of 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline (CID 71725627) is 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline.
What is the SMILES notation for 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline?
The canonical SMILES for 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline is COc1cccc(N(C)c2ccccc2)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline?
The InChIKey is IGQZJEABZKJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NOP/c1-27(21-13-6-3-7-14-21)24-19-12-20-25(28-2)26(24)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3,6-7,12-14,19-20,22-23H,4-5,8-11,15-18H2,1-2H3.
What are the key properties of 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline?
2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline has a molecular weight of 409.55 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline is sourced from PubChem (CID 71725627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).